CID 55274852

903555-97-5

Structural Information

Molecular Formula

C₁₀H₁₀N₂

SMILES

C1CC2=C([C@@H]1N)C=CC(=C2)C#N

InChI

InChI=1S/C10H10N2/c11-6-7-1-3-9-8(5-7)2-4-10(9)12/h1,3,5,10H,2,4,12H2/t10-/m1/s1

InChIKey

QNZWGKXBLSVMLQ-SNVBAGLBSA-N

Compound name

(1R)-1-amino-2,3-dihydro-1H-indene-5-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 93
Patents: 158.0844 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	159.09168	136.6
[M+Na]+	181.07362	147.6
[M-H]-	157.07712	140.3
[M+NH4]+	176.11822	157.8
[M+K]+	197.04756	142.1
[M+H-H2O]+	141.08166	124.8
[M+HCOO]-	203.08260	156.8
[M+CH3COO]-	217.09825	149.1
[M+Na-2H]-	179.05907	141.4
[M]+	158.08385	129.3
[M]-	158.08495	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe